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| CAS No.: | 57773-65-6 |
|---|---|
| Name: | Deslorelin |
| Molecular Structure: | |
|
|
|
| Formula: | C64H83N17O12 |
| Molecular Weight: | 1282.64 |
| Synonyms: | Luteinizinghormone-releasing factor (pig),6-D-tryptophan-9-(N-ethyl-L-prolinamide)-10-deglycinamide-;Bachem 9022;D-TrpLHRH-PEA;D-Trp6-Pro9-N-ethylamide-LH-RH; |
| EINECS: | 637-335-2 |
| Density: | 1.48 g/cm3 |
| Boiling Point: | 1783.4oC at 760 mmHg |
| Flash Point: | 1032.4oC |
| Appearance: | White powder or almost white powder |
| Hazard Symbols: |
 T
|
| Risk Codes: | 60 |
| Safety: | 53-22-36/37/39-45 |
| PSA: | 444.83000 |
| LogP: | 4.03430 |
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Specification
1. Introduction of Deslorelin
Deslorelin, with the IUPAC Name of N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[1-[[(2S)-5-(Diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide, is one kind of white powder. The Product Categories of this chemical is Peptide.
2. Properties Deslorelin
Deslorelin has the following property datas: (1)Density: 1.48 g/cm3; (2)Index of Refraction: 1.709; (3)Molar Refractivity: 337.34 cm3; (4)Molar Volume: 863.7 cm3; (5)Surface Tension: 65.5 dyne/cm; (6)Appearance: wite powder or almost white powder; (7)Sorage Tmp: -20 °C; (8)XLogP3-AA: 1.1; (9)H-Bond Donor: 16; (10)H-Bond Acceptor: 16; (11)Rotatable Bond Count: 32; (12)Tautomer Count: 998; (13)Exact Mass: 1281.640711; (14)MonoIsotopic Mass: 1281.640711; (15)Topological Polar Surface Area: 447; (16)Heavy Atom Count: 93.
3. Structure Descriptors of Deslorelin
You could convert the following datas into the molecular structure:
(1). InChI: InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45?,46-,47?,48-,49+,50-,51-,52-,53-/m0/s1
(2). InChIKey: InChIKey=GJKXGJCSJWBJEZ-YBPHYSDRSA-N
(3). Smiles: c1(C[C@@H](C(N[C@@H](CO)C(N[C@H](C(N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N2CCC[C@H]2C(=O)NCC)=O)CCCNC(N)=N)Cc2c[nH]c3ccccc23)=O)Cc2ccc(cc2)O)=O)=O)NC([C@H](Cc2cnc[nH]2)NC([C@@H]2NC(=O)CC2)=O)=O)c2c([nH]c1)cccc2
4. Safety Information of Deslorelin
Hazard Codes: 
T
Risk Statements: 60
R60:May impair fertility.
Safety Statements: 53-22-36/37/39-45
S53:Avoid exposure - obtain special instructions before use.
S22:Do not breathe dust.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
RTECS: OK6755000
Human and experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
5. Use of Deslorelin
Deslorelin is primarily used for the initial flare effect upon the pituitary, and its associated surge of LH secretion. It is currently approved for use in veterinary medicine and is used to induce ovulation in mares as part of the artificial insemination process. It is also used to stabilize high-risk pregnancies, mainly of livestock.
6. Production of Deslorelin
Using the corresponding protected amino acid monomers as the raw material. And Deslorelin is obtained by solid-phase synthesis or liquid phase synthesis.